ergo
GetDensFromFock.cc File Reference

Routines for getting density matrix from a given Fock matrix. More...

#include "output.h"
#include <memory.h>
#include <stdio.h>
#include <math.h>
#include <fstream>
#include <sstream>
#include "utilities.h"
#include "matrix_utilities.h"
#include "TC2.h"
#include "units.h"
#include "machine_epsilon.h"
#include "AllocatorManager.h"
#include "densfromf_full.h"
#include "purification_general.h"
#include "purification_sp2.h"
#include "purification_sp2acc.h"
#include "GetDensFromFock.h"

Typedefs

typedef generalVector VectorType
 

Functions

static ergo_real get_eucl_diff_with_adapted_accuracy (int n, const symmMatrixWrap &F_w, const symmMatrixWrap &F_ort_prev_w, ergo_real acc)
 
bool file_exist (const std::string &name)
 

Detailed Description

Routines for getting density matrix from a given Fock matrix.

Author
Anastasia Kruchinina responsible
Elias Rudberg

Typedef Documentation

◆ VectorType

Function Documentation

◆ file_exist()

bool file_exist ( const std::string &  name)
inline

◆ get_eucl_diff_with_adapted_accuracy()

static ergo_real get_eucl_diff_with_adapted_accuracy ( int  n,
const symmMatrixWrap F_w,
const symmMatrixWrap F_ort_prev_w,
ergo_real  acc 
)
static